Research workbench
Crystal structure of the MG2+/CAM:KV7.5 (KCNQ5) ab domain complex
Analyse Crystal structure of the MG2+/CAM:KV7.5 (KCNQ5) ab domain complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6B8Q
- Type
- protein
- Length
- 827 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Potassium voltage-gated channel subfamily kqt member 5; Calmodulin-1
- UniProt
- Q9NR82, P0DP23
- Ligands
- MG
- Pockets
- 13 · best druggability 0.76
Structure
x-ray diffraction · 7 distinct chains · 60% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Potassium voltage-gated channel subfamily kqt member 5 | protein | 62 | 63% helix, 0% strand | Q9NR82 |
| B, H | Calmodulin-1 | protein | 146 | 56% helix, 7% strand | P0DP23 |
| C | Potassium voltage-gated channel subfamily kqt member 5 | protein | 60 | 65% helix, 0% strand | Q9NR82 |
| D | Calmodulin-1 | protein | 143 | 57% helix, 6% strand | P0DP23 |
| E | Potassium voltage-gated channel subfamily kqt member 5 | protein | 60 | 63% helix, 0% strand | Q9NR82 |
| F | Calmodulin-1 | protein | 144 | 57% helix, 6% strand | P0DP23 |
| G | Potassium voltage-gated channel subfamily kqt member 5 | protein | 66 | 67% helix, 0% strand | Q9NR82 |
Ligands and binding sites
- MG · Magnesium ion · metal · 15 copies · chains B, D, H, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 927 | 0.76 | 0.79 | 89 | empty |
| 2 | 708 | 0.71 | 0.78 | 90 | empty |
| 3 | 272 | 0.69 | 0.84 | 46 | empty |
| 4 | 93 | 0.56 | 0.86 | 24 | empty |
| 5 | 147 | 0.55 | 0.81 | 18 | empty |
Interfaces
14 interfaces between chains.
- G–H · 2270 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 2260 Ų buried · 26 hydrogen bonds · protein-protein
- C–D · 2193 Ų buried · 21 hydrogen bonds · protein-protein
- E–F · 2093 Ų buried · 11 hydrogen bonds · protein-protein
- B–H · 611 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6B8Q · Crystal Structure of the Mg2+/CaM:Kv7.5 (KCNQ5) AB domain complex · the same entry in another collection · chain H against H, TM-score 1.00
- Q9NR82 · AlphaFold monomer V2.0 prediction for potassium voltage-gated channel subfamily kqt… · a predicted model of the same protein · chain G against A, TM-score 0.90
- P0DP23 · AlphaFold monomer V2.0 prediction for calmodulin-1 (P0DP23) · a predicted model of the same protein · chain B against A, TM-score 0.55
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9NR82
- Every structure of UniProt P0DP23
- Elsewhere: RCSB PDB 6B8Q · PDBe 6B8Q · UniProt Q9NR82 · UniProt P0DP23
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